N-methyl-2-[2-(5-methylthiophen-2-yl)imidazo[4,5-b]pyridin-3-yl]acetamide

C14H14N4OS — CID 14390392

IUPACN-methyl-2-[2-(5-methylthiophen-2-yl)imidazo[4,5-b]pyridin-3-yl]acetamide
SMILESCNC(=O)Cn1c(-c2ccc(C)s2)nc2cccnc21
InChIInChI=1S/C14H14N4OS/c1-9-5-6-11(20-9)14-17-10-4-3-7-16-13(10)18(14)8-12(19)15-2/h3-7H,8H2,1-2H3,(H,15,19)
InChIKeyPPMHQHOQWGCLEN-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.21
Rot. Bonds3

About N-methyl-2-[2-(5-methylthiophen-2-yl)imidazo[4,5-b]pyridin-3-yl]acetamide

N-methyl-2-[2-(5-methylthiophen-2-yl)imidazo[4,5-b]pyridin-3-yl]acetamide (PubChem CID 14390392) has the molecular formula C14H14N4OS and a molecular weight of 286.36 g/mol. Its IUPAC name is N-methyl-2-[2-(5-methylthiophen-2-yl)imidazo[4,5-b]pyridin-3-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[2-(5-methylthiophen-2-yl)imidazo[4,5-b]pyridin-3-yl]acetamide
PubChem CID14390392
Molecular FormulaC14H14N4OS
Molecular Weight286.36 g/mol
Exact Mass286.09
IUPAC NameN-methyl-2-[2-(5-methylthiophen-2-yl)imidazo[4,5-b]pyridin-3-yl]acetamide
SMILESCNC(=O)Cn1c(-c2ccc(C)s2)nc2cccnc21
InChIInChI=1S/C14H14N4OS/c1-9-5-6-11(20-9)14-17-10-4-3-7-16-13(10)18(14)8-12(19)15-2/h3-7H,8H2,1-2H3,(H,15,19)
InChIKeyPPMHQHOQWGCLEN-UHFFFAOYSA-N
XLogP2.21
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-(5-methylthiophen-2-yl)imidazo[4,5-b]pyridin-3-yl]acetamide?
The IUPAC name of N-methyl-2-[2-(5-methylthiophen-2-yl)imidazo[4,5-b]pyridin-3-yl]acetamide (CID 14390392) is N-methyl-2-[2-(5-methylthiophen-2-yl)imidazo[4,5-b]pyridin-3-yl]acetamide.
What is the SMILES notation for N-methyl-2-[2-(5-methylthiophen-2-yl)imidazo[4,5-b]pyridin-3-yl]acetamide?
The canonical SMILES for N-methyl-2-[2-(5-methylthiophen-2-yl)imidazo[4,5-b]pyridin-3-yl]acetamide is CNC(=O)Cn1c(-c2ccc(C)s2)nc2cccnc21.
What is the InChIKey of N-methyl-2-[2-(5-methylthiophen-2-yl)imidazo[4,5-b]pyridin-3-yl]acetamide?
The InChIKey is PPMHQHOQWGCLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4OS/c1-9-5-6-11(20-9)14-17-10-4-3-7-16-13(10)18(14)8-12(19)15-2/h3-7H,8H2,1-2H3,(H,15,19).
What are the key properties of N-methyl-2-[2-(5-methylthiophen-2-yl)imidazo[4,5-b]pyridin-3-yl]acetamide?
N-methyl-2-[2-(5-methylthiophen-2-yl)imidazo[4,5-b]pyridin-3-yl]acetamide has a molecular weight of 286.36 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-(5-methylthiophen-2-yl)imidazo[4,5-b]pyridin-3-yl]acetamide is sourced from PubChem (CID 14390392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).